PLUMED¶
Description¶
- PLUMED is an open source library for free energy calculations in molecular systems which
- works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.
More information¶
- Homepage: https://www.plumed.org
Availability¶
| Module | Manneback | Lemaitre4 |
|---|---|---|
| PLUMED/2.5.3-foss-2019b-Python-3.7.4 | √ | |
| PLUMED/2.5.3-intel-2019b-Python-3.7.4 | √ | |
| PLUMED/2.9.0-foss-2023a | √ | √ |